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Search results for "Julio de Paula"

Hermite polynomials

Added Nov 24, 2010 by Julio de Paula in Chemistry

This widget displays the form and some properties of a Hermite polynomial of user-defined order.

Particle in a 1D box - probability density

Added Nov 24, 2010 by Julio de Paula in Chemistry

This widget displays the wavefunctions of a particle in a 1D box of length L = 1 nm.


Particle in a square box - wavefunctions

Added Nov 24, 2010 by Julio de Paula in Chemistry

This widget displays 3D and contour plots of wavefunctions of a particle in a one-nanometer square box.

Superposition of wavefunctions

Added Nov 29, 2010 by Julio de Paula in Chemistry

This widget plots the superposition of cosine wavefunctions. This calculation is a useful illustration of the concept of a wavepacket in quantum theory.


Huckel calculations, part 1

Added Nov 29, 2010 by Julio de Paula in Chemistry

This widget illustrates the Huckel approximation by solving the matrix equations for systems containing three carbon atoms.

Particle in a 1D box - useful integrals

Added Nov 29, 2010 by Julio de Paula in Chemistry

This widget calculates integrals of functions commonly encountered when working with the particle in a 1D box.


Series expansions

Added Nov 29, 2010 by Julio de Paula in Chemistry

In physical chemistry it is often useful to represent a function as a series expansion. This widget gives the series expansion of a user-defined function.

Vector operations

Added Nov 29, 2010 by Julio de Paula in Chemistry

This widget performs the following vector operations: addition, subtraction, dot and cross products.


Huckel calculations, part 2

Added Nov 29, 2010 by Julio de Paula in Chemistry

This widget performs Huckel calculations on conjugated systems with four carbon atoms.

The 1s orbital - radial distribution function

Added Nov 30, 2010 by Julio de Paula in Chemistry

This widget plots the radial distribution function of a hydrogenic 1s orbital, with a user-defined value of the atomic number, Z.


The 1s orbital - most probable radii

Added Nov 30, 2010 by Julio de Paula in Chemistry

This widget calculates the most probable radius of a hydrogenic 1s orbital (in pm), with a user-defined value of the atomic number, Z.

Associated Laguerre polynomials

Added Nov 30, 2010 by Julio de Paula in Chemistry

This widget displays the associated Laguerre polynomials used in the construction of the radial wavefunctions of hydrogenic orbitals.


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